Vitas-M small molecule compound

N-(2,6-dibromo-4-methylphenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL049585
SMILES O=C(Nc1c(Br)cc(cc1Br)C)CSc1nnc(n1Cc1ccco1)c1ccccc1F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H17Br2FN4O2S MW 580.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Br2FN4O2S/c1-13-9-16(23)20(17(24)10-13)26-19(30)12-32-22-28-27-21(15-6-2-3-7-18(15)25)29(22)11-14-5-4-8-31-14/h2-10H,11-12H2,1H3,(H,26,30)
InChIKey
KJASMYIZCZKQBN-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4F)Br
InChI=1SC22H17Br2FN4O2Sc113916(23)20(17(24)1013)2619(30)123222282721(15623718(15)25)29(22)11145483114h210H1112H21H3(H2630)
MFCD05734554
N(26DIBROMO4METHYLPHENYL)2((5(2FLUOROPHENYL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(26dibromo4methylphenyl)2((5(2fluorophenyl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
N(26dibromo4methylphenyl)2((5(2fluorophenyl)4(furan2ylmethyl)4H124triazol3yl)thio)acetamide
N(26DIBROMO4METHYLPHENYL)2(5(2FLUOROPHENYL)4(2FURYLMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001273826
ZINC01273826
ZINC1273826

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Available files

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